- InChI
- InChI=1S/C23H30O/c24-23-21-15-9-7-5-3-1-2-4-6-8-10-16-22(23)18-20-14-12-11-13-19(20)17-21/h11-14,17-18H,1-10,15-16H2
- InChI Key
- LRURKHXGUOCKOP-UHFFFAOYSA-N
- Formula
- C23H30O
- SMILES
-
O=c1c2cc3ccccc3cc1CCCCCCCCCCCC
2 - Molecular Weight1
- 322.49
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5769 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -13075.00 ± 11.00 | kJ/mol | NIST |
| ΔfG° | 204.28 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -160.00 ± 15.00 | kJ/mol | NIST |
| ΔfH°solid | -263.00 ± 11.00 | kJ/mol | NIST |
| ΔvapH° | 120.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 ± 0.03 | eV | NIST |
| log10WS | -6.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.200 | Crippen Calculated Property | |
| McVol | 282.420 | ml/mol | McGowan Calculated Property |
| Pc | 1612.88 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 768.04 | K | Relay (1.0) Calculated Property |
| Tc | 999.94 | K | Relay (1.0) Calculated Property |
| Tfus | 478.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.947 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 6,19-Methanobenzocyclooctadecen-21-one.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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